Acetamide, N-(4-amino-3-methyl-5-isoxazolyl)-(9CI)
Basic information
- CAS
41230-63-1- Standard SMILES
CC(=O)Nc1onc(C)c1N- InChIKey
HUEKKRSEFIXCJX-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- Acetamide, N-(4-amino-3-methyl-5-isoxazolyl)-(9CI)
- IUPAC
- N-(4-amino-3-methyl-1,2-oxazol-5-yl)acetamide
- English name
- Acetamide, N-(4-amino-3-methyl-5-isoxazolyl)- (9CI)
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
41230-63-1NSC152539Acetamide, N-(4-amino-3-methyl-5-isoxazolyl)- (9CI)DTXSID50961511NSC-152539N-(4-Amino-3-methyl-1,2-oxazol-5-yl)ethanimidic acidAcetamide, N-(4-amino-3-methyl-5-isoxazolyl)-
Database identifiers
- CAS
41230-63-1- PubChem CID
- 289990
- DTXSID
DTXSID50961511
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 392.7 · 392.7±42.0 °C(Predicted)
- Density
- 1.325 · 1.325±0.06 g/cm3(Predicted)
- pka
- 13.02 · 13.02±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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